2-methoxy-2-methylbutane-1-sulfonyl chloride

C6H13ClO3S — CID 105453268

IUPAC2-methoxy-2-methylbutane-1-sulfonyl chloride
SMILESCCC(C)(CS(=O)(=O)Cl)OC
InChIInChI=1S/C6H13ClO3S/c1-4-6(2,10-3)5-11(7,8)9/h4-5H2,1-3H3
InChIKeyRUNDJRBAAWGQSZ-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.37
Rot. Bonds4

About 2-methoxy-2-methylbutane-1-sulfonyl chloride

2-methoxy-2-methylbutane-1-sulfonyl chloride (PubChem CID 105453268) has the molecular formula C6H13ClO3S and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-methoxy-2-methylbutane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-2-methylbutane-1-sulfonyl chloride
PubChem CID105453268
Molecular FormulaC6H13ClO3S
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name2-methoxy-2-methylbutane-1-sulfonyl chloride
SMILESCCC(C)(CS(=O)(=O)Cl)OC
InChIInChI=1S/C6H13ClO3S/c1-4-6(2,10-3)5-11(7,8)9/h4-5H2,1-3H3
InChIKeyRUNDJRBAAWGQSZ-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-2-methylbutane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylbutane-1-sulfonyl chloride?
The IUPAC name of 2-methoxy-2-methylbutane-1-sulfonyl chloride (CID 105453268) is 2-methoxy-2-methylbutane-1-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-2-methylbutane-1-sulfonyl chloride?
The canonical SMILES for 2-methoxy-2-methylbutane-1-sulfonyl chloride is CCC(C)(CS(=O)(=O)Cl)OC.
What is the InChIKey of 2-methoxy-2-methylbutane-1-sulfonyl chloride?
The InChIKey is RUNDJRBAAWGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13ClO3S/c1-4-6(2,10-3)5-11(7,8)9/h4-5H2,1-3H3.
What are the key properties of 2-methoxy-2-methylbutane-1-sulfonyl chloride?
2-methoxy-2-methylbutane-1-sulfonyl chloride has a molecular weight of 200.69 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylbutane-1-sulfonyl chloride is sourced from PubChem (CID 105453268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).